formic acid;1-[(3R,4S)-4-hydroxy-3-morpholin-4-yl-4-phenylpiperidin-1-yl]-3-pyridin-2-ylpropan-1-one

C24H31N3O5 — CID 171712344

IUPACformic acid;1-[(3R,4S)-4-hydroxy-3-morpholin-4-yl-4-phenylpiperidin-1-yl]-3-pyridin-2-ylpropan-1-one
SMILESO=C(CCc1ccccn1)N1CC[C@](O)(c2ccccc2)[C@H](N2CCOCC2)C1.O=CO
InChIInChI=1S/C23H29N3O3.CH2O2/c27-22(10-9-20-8-4-5-12-24-20)26-13-11-23(28,19-6-2-1-3-7-19)21(18-26)25-14-16-29-17-15-25;2-1-3/h1-8,12,21,28H,9-11,13-18H2;1H,(H,2,3)/t21-,23+;/m1./s1
InChIKeyQZZDJSZJNIWRCU-QRIJJCFISA-N
MW441.53 g/mol
LogP1.54
Rot. Bonds5

About formic acid;1-[(3R,4S)-4-hydroxy-3-morpholin-4-yl-4-phenylpiperidin-1-yl]-3-pyridin-2-ylpropan-1-one

formic acid;1-[(3R,4S)-4-hydroxy-3-morpholin-4-yl-4-phenylpiperidin-1-yl]-3-pyridin-2-ylpropan-1-one (PubChem CID 171712344) has the molecular formula C24H31N3O5 and a molecular weight of 441.53 g/mol. Its IUPAC name is formic acid;1-[(3R,4S)-4-hydroxy-3-morpholin-4-yl-4-phenylpiperidin-1-yl]-3-pyridin-2-ylpropan-1-one.

Molecular Properties

Compound Nameformic acid;1-[(3R,4S)-4-hydroxy-3-morpholin-4-yl-4-phenylpiperidin-1-yl]-3-pyridin-2-ylpropan-1-one
PubChem CID171712344
Molecular FormulaC24H31N3O5
Molecular Weight441.53 g/mol
Exact Mass441.23
IUPAC Nameformic acid;1-[(3R,4S)-4-hydroxy-3-morpholin-4-yl-4-phenylpiperidin-1-yl]-3-pyridin-2-ylpropan-1-one
SMILESO=C(CCc1ccccn1)N1CC[C@](O)(c2ccccc2)[C@H](N2CCOCC2)C1.O=CO
InChIInChI=1S/C23H29N3O3.CH2O2/c27-22(10-9-20-8-4-5-12-24-20)26-13-11-23(28,19-6-2-1-3-7-19)21(18-26)25-14-16-29-17-15-25;2-1-3/h1-8,12,21,28H,9-11,13-18H2;1H,(H,2,3)/t21-,23+;/m1./s1
InChIKeyQZZDJSZJNIWRCU-QRIJJCFISA-N
XLogP1.54
TPSA103.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-[(3R,4S)-4-hydroxy-3-morpholin-4-yl-4-phenylpiperidin-1-yl]ethanone
CID 169412914
4-phenyl-1-(3-pyridin-2-ylpropanoyl)piperidine-4-carboxylic acid
CID 120613659
[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-[(3R,4S)-4-hydroxy-3-morpholin-4-yl-4-phenylpiperidin-1-yl]methanone;dihydrochloride
CID 171331002
1-[(3S,4S)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-3-pyridin-2-ylpropan-1-one
CID 133139254
1-(4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl)-2-methoxyethanone
CID 156601705
3-pyridin-2-yl-1-pyrrolidin-1-ylpropan-1-one
CID 84583378
8-methyl-2-(3-pyridin-2-ylpropanoyl)-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
CID 50961999
1-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridin-2-ylpropan-1-one
CID 112534839
formic acid;[(3R,4S)-4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl]-([1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone
CID 171710004
1-[3-(methylamino)pyrrolidin-1-yl]-3-pyridin-2-ylpropan-1-one
CID 81466575
1-[(3S,4S)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-2-pyridin-2-ylethanone
CID 91797332
1-[(3S)-3-(4-phenylbenzoyl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one
CID 25288026

Frequently Asked Questions

What is the IUPAC name of formic acid;1-[(3R,4S)-4-hydroxy-3-morpholin-4-yl-4-phenylpiperidin-1-yl]-3-pyridin-2-ylpropan-1-one?
The IUPAC name of formic acid;1-[(3R,4S)-4-hydroxy-3-morpholin-4-yl-4-phenylpiperidin-1-yl]-3-pyridin-2-ylpropan-1-one (CID 171712344) is formic acid;1-[(3R,4S)-4-hydroxy-3-morpholin-4-yl-4-phenylpiperidin-1-yl]-3-pyridin-2-ylpropan-1-one.
What is the SMILES notation for formic acid;1-[(3R,4S)-4-hydroxy-3-morpholin-4-yl-4-phenylpiperidin-1-yl]-3-pyridin-2-ylpropan-1-one?
The canonical SMILES for formic acid;1-[(3R,4S)-4-hydroxy-3-morpholin-4-yl-4-phenylpiperidin-1-yl]-3-pyridin-2-ylpropan-1-one is O=C(CCc1ccccn1)N1CC[C@](O)(c2ccccc2)[C@H](N2CCOCC2)C1.O=CO.
What is the InChIKey of formic acid;1-[(3R,4S)-4-hydroxy-3-morpholin-4-yl-4-phenylpiperidin-1-yl]-3-pyridin-2-ylpropan-1-one?
The InChIKey is QZZDJSZJNIWRCU-QRIJJCFISA-N. The full InChI is InChI=1S/C23H29N3O3.CH2O2/c27-22(10-9-20-8-4-5-12-24-20)26-13-11-23(28,19-6-2-1-3-7-19)21(18-26)25-14-16-29-17-15-25;2-1-3/h1-8,12,21,28H,9-11,13-18H2;1H,(H,2,3)/t21-,23+;/m1./s1.
What are the key properties of formic acid;1-[(3R,4S)-4-hydroxy-3-morpholin-4-yl-4-phenylpiperidin-1-yl]-3-pyridin-2-ylpropan-1-one?
formic acid;1-[(3R,4S)-4-hydroxy-3-morpholin-4-yl-4-phenylpiperidin-1-yl]-3-pyridin-2-ylpropan-1-one has a molecular weight of 441.53 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;1-[(3R,4S)-4-hydroxy-3-morpholin-4-yl-4-phenylpiperidin-1-yl]-3-pyridin-2-ylpropan-1-one is sourced from PubChem (CID 171712344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).